PDB CCD ID: | P0G |
Number of entries in BioLiP: | 8 |
Chemical formula: | C21 H26 N2 O4 |
InChI: | InChI=1S/C21H26N2O4/c1-13-6-4-5-7-14(13)10-21(2,3)22-11-17(25)15-8-9-16(24)19-20(15)27-12-18(26)23-19/h4-9,17,22,24-25H,10-12H2,1-3H3,(H,23,26)/t17-/m0/s1 |
InChIKey: | NWQXBEWHTDRJIP-KRWDZBQOSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.370 | Cc1ccccc1CC(C)(C)NC[CH](O)c2ccc(O)c3NC(=O)COc23 | ACDLabs 12.01 | O=C1Nc2c(O)ccc(c2OC1)C(O)CNC(C)(C)Cc3ccccc3C | OpenEye OEToolkits 1.7.0 | Cc1ccccc1CC(C)(C)NC[C@@H](c2ccc(c3c2OCC(=O)N3)O)O | CACTVS 3.370 | Cc1ccccc1CC(C)(C)NC[C@H](O)c2ccc(O)c3NC(=O)COc23 | OpenEye OEToolkits 1.7.0 | Cc1ccccc1CC(C)(C)NCC(c2ccc(c3c2OCC(=O)N3)O)O |
|
Name: | 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one |
ChEMBL: | CHEMBL1615159 |
ZINC: | ZINC000045302446 |